| CAS Number | 897838-63-0 |
| Catalog Number | AG01AD59 |
| Chemical Name | ethyl 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetate |
| IUPAC Name | ethyl 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetate |
| InChI | InChI=1S/C14H15NO2S/c1-3-17-14(16)8-13-15-12(9-18-13)11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3 |
| InChI Key | JLMACWNPGQTLRM-UHFFFAOYSA-N |
| MDL Number | MFCD09501574 |
| Molecular Formula | C14H15NO2S |
| Molecular Weight | 261.3394 |
| SMILES | CCOC(CC1SC=C(C2=CC=C(C)C=C2)N=1)=O |
| Synonyms | ethyl 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetate,
897838-63-0,
ZINC14671723,
AKOS002542607,
MCULE-1526949292,
NE48043,
Z111778824,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.339g/mol |
| Monoisotopic Mass | 261.082g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number